5-methylhex-4-en-3-ol

C7H14O — CID 11332440

IUPAC5-methylhex-4-en-3-ol
SMILESCCC(O)C=C(C)C
InChIInChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h5,7-8H,4H2,1-3H3
InChIKeySMKXEJCDVREDQY-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.72
Rot. Bonds2

About 5-methylhex-4-en-3-ol

5-methylhex-4-en-3-ol (PubChem CID 11332440) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 5-methylhex-4-en-3-ol.

Molecular Properties

Compound Name5-methylhex-4-en-3-ol
PubChem CID11332440
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name5-methylhex-4-en-3-ol
SMILESCCC(O)C=C(C)C
InChIInChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h5,7-8H,4H2,1-3H3
InChIKeySMKXEJCDVREDQY-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylhex-4-en-3-ol?
The IUPAC name of 5-methylhex-4-en-3-ol (CID 11332440) is 5-methylhex-4-en-3-ol.
What is the SMILES notation for 5-methylhex-4-en-3-ol?
The canonical SMILES for 5-methylhex-4-en-3-ol is CCC(O)C=C(C)C.
What is the InChIKey of 5-methylhex-4-en-3-ol?
The InChIKey is SMKXEJCDVREDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h5,7-8H,4H2,1-3H3.
What are the key properties of 5-methylhex-4-en-3-ol?
5-methylhex-4-en-3-ol has a molecular weight of 114.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhex-4-en-3-ol is sourced from PubChem (CID 11332440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).